Geometry & MOs

Info

ID:	306852
PubChem CID:	125258785
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-97.33
Dipole, Da:	5.23
IP(EA), eV:	-9.03(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,6aS)-N-methyl-5-[(3-methylphenyl)methyl]-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C[C@@H]3C[C@H](N([C@H]3C2)S(=O)(=O)C)C(=O)NC

DOS

IR

Vibrations